1H-Pyrazolium, 5-[2-[4-(diethylamino)phenyl]diazenyl]-2-(2-hydroxyethyl)-1-(phenylmethyl)-, chloride (1:1)
Basic information
- CAS
68123-01-3- Standard SMILES
CCN(CC)c1ccc(N=Nc2cc[n+](CCO)n2Cc2ccccc2)cc1.[Cl-]- InChIKey
MYSTVFDGIQCCES-UHFFFAOYSA-M- Molecular formula
- C22H28ClN5O
- Average molar mass
- 413.9 g/mol
- Monoisotopic mass
- 413.1982382
Names & identifiers
- Preferred name
- 1H-Pyrazolium, 5-[2-[4-(diethylamino)phenyl]diazenyl]-2-(2-hydroxyethyl)-1-(phenylmethyl)-, chloride (1:1)
- IUPAC
- 2-[2-benzyl-3-[[4-(diethylamino)phenyl]diazenyl]pyrazol-1-ium-1-yl]ethanol chloride
Names & synonyms
68123-01-31H-Pyrazolium, 5-((4-(diethylamino)phenyl)azo)-2-(2-hydroxyethyl)-1-(phenylmethyl)-, chloride1H-Pyrazolium, 5-(2-(4-(diethylamino)phenyl)diazenyl)-2-(2-hydroxyethyl)-1-(phenylmethyl)-, chloride (1:1)1H-Pyrazolium, 5-[[4-(diethylamino)phenyl]azo]-2-(2-hydroxyethyl)-1-(phenylmethyl)-, chloride1H-Pyrazolium, 5-[2-[4-(diethylamino)phenyl]diazenyl]-2-(2-hydroxyethyl)-1-(phenylmethyl)-, chloride (1:1)RefChem:79943DTXSID50987594MYSTVFDGIQCCES-UHFFFAOYSA-M4-{[2-Benzyl-1-(2-hydroxyethyl)-1,2-dihydro-3H-pyrazol-3-ylidene]hydrazinylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium chloride
Database identifiers
- CAS
68123-01-3- PubChem CID
- 106629
- DTXSID
DTXSID50987594
Properties
Computed structural properties
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 456
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Pyrazolium, 5-[2-[4-(diethylamino)phenyl]diazenyl]-2-(2-hydroxyethyl)-1-(phenylmethyl)-, chloride (1:1): INACTIVE
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Compound notes
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